dibenzofuran-2-yl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: dibenzofuran-2-yl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: dibenzofuran-2-yl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid dibenzofuran-2-yl ester Formula: C26H17ClO3S MolecularWeight: 444.92938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OC(=O)C4=CC=C(C=C4)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OC(=O)C4=CC=C(C=C4)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H17ClO3S/c27-19-9-12-21(13-10-19)31-16-17-5-7-18(8-6-17)26(28)29-20-11-14-25-23(15-20)22-3-1-2-4-24(22)30-25/h1-15H,16H2